SCHEMBL10376604

SCHEMBL10376604

Cc1nc(-c2ccccc2)nc(-c2cccc([N+](=O)[O-])c2)c1C(=O)OCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 3/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
MAPK1 P28482 1/20 0.44
ADORA3 P0DMS8 2/20 0.43
ACHE P22303 2/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
CACNB4 O00305 1/20 0.43
CACNA1A O00555 1/20 0.43
CACNA1G O43497 1/20 0.43
CACNG3 O60359 1/20 0.43
CACNA1F O60840 1/20 0.43
CACNA1H O95180 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10377424 0.91 KDM4E (0.57) KDM4ERAB9ATP53HSD17B10KMT2A
SCHEMBL10375282 0.86 ALDH1A1 (0.55) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL11012629 0.84 SMN1; SMN2 (0.54) KDM4ERAB9AKMT2AMEN1ALDH1A1
SCHEMBL10377541 0.84 NPC1 (0.50) RAB9ATP53KMT2AMEN1ALDH1A1
SCHEMBL10377358 0.84 NPC1 (0.50) RAB9ATP53KMT2AMEN1ALDH1A1
SCHEMBL10754019 0.84 POLB (0.44) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL10375355 0.83 ALDH1A1 (0.53) KDM4ERAB9AKMT2AMEN1ALDH1A1
SCHEMBL10376717 0.82 ALDH1A1 (0.45) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL10375511 0.82 ALDH1A1 (0.46) RAB9AKMT2AMEN1ALDH1A1MAPT
SCHEMBL10376552 0.82 NPC1 (0.48) KDM4ERAB9AKMT2AMEN1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0169712-B1 NEW PYRIMIDINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND COMPOSITION CONTAINING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-12-12 EP disclosed
US-4698340-A TREATMENT OF CEREBROVASCULAR DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-06 US disclosed
EP-0169712-A2 New pyrimidine derivatives, processes for preparation thereof and composition containing the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-29 EP disclosed